TIP3P model of water
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Parameters
The TIP3P model consists of a Lennard-Jones site for the oxygen atom, and two charge sites.
| (Å) | HOH , deg | (Å) | (kJ/mol) | q(O) (e) | q(H) (e) | q(M) (e) | (Å) |
| 0.9572 | 104.52 | 3.15066 | 0.63627 | -0.834 | 0.417 | 0 | 0 |
Surface tension
The surface tension has been studied for the TIP3P model by Vega and Miguel [2]
Shear viscosity
The shear viscosity for the TIP3P model is 0.321 mPa.s at 298 K and 1 bar [3] (experimental value 0.896 mPa.s [4]).
References
- ↑ William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics 79 pp. 926-935 (1983)
- ↑ C. Vega and E. de Miguel "Surface tension of the most popular models of water by using the test-area simulation method", Journal of Chemical Physics 126 154707 (2007)
- ↑ Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics 132 096101 (2010)
- ↑ Kenneth R. Harris and Lawrence A. Woolf "Temperature and Volume Dependence of the Viscosity of Water and Heavy Water at Low Temperatures", Journal of Chemical & Engineering Data 49 pp. 1064-1069 (2004)
- Related reading